SCHEMBL6422847

SCHEMBL6422847

CC(C)[C@H](C(=O)NO)N(CCN1CCOCC1)S(=O)(=O)c1ccc(NC(=O)c2ccc(Br)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 4/20 0.64
MMP13 P45452 3/20 0.64
NPC1 O15118 1/20 0.51
LMNA P02545 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
RAB9A P51151 1/20 0.51
MMP3 P08254 1/20 0.49
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
IDO1 P14902 1/20 0.47
MMP1 P03956 1/20 0.47
MMP9 P14780 1/20 0.47
MMP14 P50281 1/20 0.47
CA12 O43570 2/20 0.46
CA9 Q16790 2/20 0.46
CA1 P00915 1/20 0.46
TP53 P04637 1/20 0.45
ALDH1A1 P00352 4/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6450974 0.92 MMP2 (0.70) MMP2MMP13NPC1LMNASMN1; SMN2
SCHEMBL6450980 0.92 MMP2 (0.70) MMP2MMP13NPC1LMNASMN1; SMN2
SCHEMBL6421711 0.91 NPC1 (0.52) MMP2MMP13NPC1LMNASMN1; SMN2
SCHEMBL6421715 0.91 NPC1 (0.52) MMP2MMP13NPC1LMNASMN1; SMN2
SCHEMBL6438768 0.90 MMP2 (0.60) MMP2MMP13NPC1LMNASMN1; SMN2
SCHEMBL6438773 0.90 MMP2 (0.60) MMP2MMP13NPC1LMNASMN1; SMN2
SCHEMBL6423313 0.89 MMP2 (0.59) MMP2MMP13NPC1LMNASMN1; SMN2
SCHEMBL6423316 0.89 MMP2 (0.59) MMP2MMP13NPC1LMNASMN1; SMN2
Hydrochloric Acid SCHEMBL6425721 0.88 MMP2 (0.58) MMP2MMP13NPC1LMNASMN1; SMN2
Hydrochloric Acid SCHEMBL6425723 0.88 MMP2 (0.58) MMP2MMP13NPC1LMNASMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0983267-B1 AMIDOAROMATIC RING SULFONAMIDE HYDROXAMIC ACID COMPOUNDS PHARMACIA CORP (US) 2005-01-26 EP disclosed
US-6451791-B1 Amidoaromatic ring sulfonamide hydroxamic acid compounds MONSANTO COMPANY 2002-09-17 US disclosed